Geometry & MOs

Info

ID:

91333

PubChem CID:

49975181

Reduced:

N6O6C29H36 (1)

Stoich.:

A6B6C29D36 (1)

Weight, g/mol:

634.311498

ΔHf, kcal/mol:

-221.87

Dipole, Da:

10.59

IP(EA), eV:

 -8.93(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations